SCHEMBL7755968

SCHEMBL7755968

CCCCCCCCOc1ccc(-c2ncnc(-c3ccc(C(C)(C)C)cc3)n2)c(OC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.44
RARB P10826 3/20 0.40
THRA P10827 2/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
LMNA P02545 1/20 0.38
ACACB O00763 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6680150 0.93 PTPN11 (0.46) PTPN11RARBNPC1SMN1; SMN2NFKB1
SCHEMBL7760968 0.85 PTPN11 (0.44) PTPN11RARBTHRANPC1ALDH1A1
SCHEMBL6676195 0.85 PTPN11 (0.37) PTPN11RARBNPC1SMN1; SMN2NFKB1
SCHEMBL6681424 0.81 PTPN11 (0.53) PTPN11RARBLMNATP53TSHR
SCHEMBL19484788 0.78 MAPT (0.43) PTPN11NPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL6681432 0.78 PTPN11 (0.46) PTPN11RARBNPC1ALDH1A1RAB9A
SCHEMBL5546811 0.78 PTPN11 (0.46) PTPN11RARBNPC1ALDH1A1RAB9A
SCHEMBL28215172 0.76 BACE1 (0.58) NPC1SMN1; SMN2KDM4EALDH1A1NFKB1
SCHEMBL28090830 0.74 NR5A1 (0.49) PTPN11THRANPC1ALDH1A1RAB9A
SCHEMBL7759691 0.74 NR1H4 (0.40)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089984-A1 NON-YELLOWING PARA-TERTIARY-ALKYL PHENYL SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 2001-04-11 EP disclosed
WO-1999067226-A1 NON-YELLOWING PARA-TERTIARY-ALKYL PHENYL SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 1999-12-29 WO disclosed